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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Benchmarking a 9Cr-2WVTa Reduced Activation Ferritic Martensitic Steel Fabricated via Additive Manufacturing

Reduced activation ferritic (RAF) martensitic steels are promising candidates for the first wall of fusion reactors. However, current manufacturing capabilities call for these components to be made by welding wrought plates. This limits design freedom and necessitates the use of post-weld heat treatments (PWHT) in accordance with the boiler and pressure vessel code. Additive manufacturing (AM) can offer a unique solution to solve this challenge by leveraging the layer-wise deposition strategy to come up with temper bead deposition techniques to eliminate post-processing heat treatments (PPHT). However, it is necessary to benchmark the properties of RAF steels fabricated by AM with their wrought counterparts to identify the process-structure-property correlation, which is the goal of this study. The study demonstrates that while tensile properties at room temperature and high temperatures are satisfactory, the as fabricated and samples after PPHT have significant heterogeneity in tensile elongation. This has been attributed to the presence of discontinuities in the build. The as-fabricated samples have an average tensile strength of 1190 + 12 MPa and an average elongation of 15 + 5% at room temperature and 658 ± 20 MPa ultimate tensile strength (UTS) and 14 ± 7% at 600 °C. After the post-weld heat treatment, mechanical properties decrease to around 600–650 MPa and an elongation between 20–25% at room temperature to 300 MPa UTS and 25–28% elongation at 600 °C. The characterization of microstructures at various length scales demonstrates that the as-fabricated structure has a significant fraction of delta ferrite in a lath martensitic matrix. No precipitates could be identified in the as-fabricated structure. PPHT led to a decrease in the area fraction of delta ferrite and precipitation of M 23 C 6 and MX. Detailed characterization clearly demonstrates that the lack of precipitates in the as-fabricated structure could be due to the slow tempering response of the alloy. Finally, the needs to develop new alloys to achieve the objectives stated above are articulated.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Rigidity‐Driven Structural Isomers in the NaCl–Ga 2 S 3 System: Implications for Energy Storage

Alternative energy sources require the search for innovative materials with promising functionalities. Systems with unusual chemical properties represent an insufficiently explored domain, concealing unexpected features. Using diffraction and Raman spectroscopy over a wide temperature range, supported by first‐principles simulations, a rare phenomenon is unveiled: phase‐dependent chemical interactions between binary components in the NaCl–Ga 2 S 3 system. In this unique occurrence, previously intact binary crystalline species transform upon melting into mixed liquid structural isomers, forming bonds with new partners. The chemical combinatorics appears to be fully reversible for stable crystals and liquids. Despite this, rapidly frozen glasses out of thermodynamic equilibrium remain in a metastable isomeric state, offering remarkable properties, particularly a high room‐temperature Na + conductivity, comparable to the best sodium halide superionic conductors and therefore encouraging for sodium solid‐state batteries and energy applications. A rigidity paradigm is responsible for the observed phenomenon, as the extremely constrained Ga 2 S 3 crystal lattice does not survive viscous flow, breaking up at a short‐range level. The removal of rigidity constraints and dense packing leads to a significant increase in empty space, which is the origin of high sodium diffusivity. Broadly, the rigidity‐driven structural isomerism opens up an inspiring path to the discovery of atypical materials.

25 ENERGY STORAGE↗
DOE OSTI2024

Thermo-Mechanical Modeling and Evaluation of the Cracking Response of Additively Manufactured Monolithic SiC Lattice Structures Subjected to Laser Heating

Increasing operating temperatures of solar receivers is paramount to the efficiency of concentrated solar thermal (CST) and solar power (CSP) systems. Owing to its high temperature stability combined with excellent thermal and optical properties, SiC has been the material of choice for application in high-temperature solar receivers. The state-of-the-art SiC volumetric concentrating solar air receivers such as honeycomb design have been demonstrated in field tests to achieve exit air temperatures approaching 800oC. However, successful application of CST systems for decarbonization requires significant increase in temperature capability of SiC receiver technology. Supported by an award from the Solar Technology Office (SETO), US Department of Energy (DOE), GE Research in collaboration with Heliogen Holdings Inc, is engaged in the development of ultra-High Operating Temperature SiC-matrix Solar Thermal Air Receiver (HOTSSTAR) enabled by additive manufacturing. The program objective is to design and to demonstrate a techno-economically viable SiC air receiver technology to achieve exit air temperature of 1100oC for CST applications. This report summarizes the learnings of a computational study on additively manufactured SiC lattice structures subjected to laser heating. The results from this study aim to help guide the design of a SiC receiver through a better understanding of lattice structure geometric parameters and their implications on the cracking response of the structure. In the study, a heat flux was applied to the surface of a 2”-diameter cylindrical lattice structure to simulate a 4kW CO2 laser. The resulting temperature distribution was applied to a structural model to approximate the stress distribution within the lattice structure and a Weibull analysis was performed to gain insight into the probability of failure and to evaluate the cracking response of the structure. With this approach, the influence of lattice density on temperature, stress, and probability of failure was explored for two different lattice beam spacings. A discussion on modeling assumptions, a comparison with experimental results, and an evaluation of the lattice cracking response is provided.

14 SOLAR ENERGY↗
DOE OSTI2024

Evaluation of Additively Manufactured Monolithic SiC and SiC-Matrix Ceramic Matrix Composites for Concentrating Solar Receiver Applications - Fabrication and Testing of Receiver Design Feature Specimens in a Simulating Lab Test via Laser Heating

Increasing operating temperatures of solar receivers is paramount to the efficiency of concentrated solar thermal (CST) and solar power (CSP) systems. Owing to its high temperature stability combined with excellent thermal and optical properties, SiC has been the material of choice for application in high-temperature solar receivers. We report the results of our study of the effective heat transfer characteristics of several candidate SiC structure motifs, or feature geometries, which are fabricated via additive manufacturing. The SiC structure motifs studied include different permutations of three-dimensional periodic lattices and defined shapes. A solar-thermal simulating laboratory test setup is constructed using a 4kW CO2 laser system with beam shaping optics to apply concurrent radiative heating power on one face of 2”-diameter cylindrical feature specimens, representing the structure motifs of interest for receiver element design, while flowing through the sample as heat transfer fluid. Using the test setup, simulative test conditions representative of a concentrated solar flux of up to ~2000 suns could be achieved in the lab tests under varying air flow through the test structure. A simple 1D numerical analysis scheme is developed to extract an effective or compound heat transfer coefficient representative of the test structure under steady-state heat flow conditions. The test results and their use to guide the selection and optimization of SiC material and structure motifs for the receiver element design fabrication are discussed.

14 SOLAR ENERGY↗
DOE OSTI2023

Rapid discovery of high hardness multi-principal-element alloys using a generative adversarial network model

Multi-principal element alloys (MPEAs) continue to gain research prominence due to their promising high-temperature microstructural and mechanical properties. Recently, machine learning (ML) and materials informatics have been used extensively for screening MPEAs, however, most of these efforts were focused on constructing classification and regression models for predicting phase stability and mechanical properties of known compositions. These approaches may accelerate the screening process but optimizing new compositions with desirable properties within a practical time frame from an infinitely large design space of MPEA systems remains a grand challenge. To tackle this composition optimization challenge, a generative adversarial network coupled with a neural-network ML model was utilized to design MPEAs by filtering compositions that have high hardness. Even in a high-dimensional space with 18 elements as descriptors, the ML model was able to generate optimized compositions from which one composition was found to have 10% higher hardness (941 HV) than the maximum in the training data (857 HV). Density-functional theory was used to provide thermodynamic and electronic insights to higher hardness of the new MPEA found. The present work can optimize compositions from a wide design space of 18 elements (including W, Ta and Nb) that presents an opportunity to synthesize new compositions for applications ranging from corrosion-resistant alloys to nuclear materials. Here the findings suggest that generative ML can greatly accelerate materials discovery by identifying novel compositions, which can serve as a data-informed tool to guide experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

An impermeable copper surface monolayer with high-temperature oxidation resistance

Despite numerous efforts involving surface coating, doping, and alloying, maintaining surface stability of metal at high temperatures without compromising intrinsic properties has remained challenging. Here, we present a pragmatic method to address the accelerated oxidation of Cu, Ni, and Fe at temperatures exceeding 200 °C. Inspired by the concept that oxygen (O) itself can effectively obstruct the pathway of O infiltration, this study proposes the immobilization of O on the metal surface. Through extensive calculations considering various elements (C, Al, Si, Ge, Ga, In, and Sn) to anchor O on Cu surfaces, Si emerges as the optimal element. The theoretical findings are validated through systematic sputtering deposition experiments. The introduction of anchoring elements to reinforce Cu–O bonds enables the formation of an atomically thin barrier on the Cu surface, rendering it impermeable to O even at high temperatures (400 °C) while preserving its intrinsic conductivity. This oxidation resistance, facilitated by the impermeable atomic monolayer, opens promising opportunities for researchers and industries to overcome limitations associated with the use of oxidizable metal films.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Aluminum bonded SmCo5 magnets with enhanced mechanical strength

Despite their versatility and easy manufacturability, polymer-bonded magnets find limited application due to their limited mechanical properties and temperature resistance. In this study, we developed mechanically robust, aluminum-bonded SmCo5 magnets by utilizing a low-temperature, shear-assisted friction consolidation technique. Bonded magnets with varying magnetic phase content were fabricated at processing temperature of 500°C, and their microstructures, magnetic, mechanical, and electrical properties were systematically investigated. The resulting bonded-magnets showed effective consolidation with nanocrystalline microstructures. Magnetic properties were found to be tunable through variations in binder phase content, with coercivity reaching values up to 15.3 kOe (1217.5 kA/m) and maximum magnetic energy product up to 3.6 MGOe (28.7 kJ/m3), which are comparable to other bonded magnets. Electrical resistivities were lower than the polymer-bonded magnets, but comparable to the sintered ones. We observed an average flexural strength of 223 MPa for 60 vol.% SmCo5/Al sample, which is nearly two times higher than the reported values for sintered and bonded Sm-Co magnets. Our research demonstrated an effective approach to fabricate metal-bonded permanent magnets with superior magnetic and mechanical properties potentially applicable for high temperature applications.

Poudel Chhetri, Tej Bahadur↗
DOE OSTI2026

Production of High Yield, Ultra‐Shallow Nitrogen‐Vacancy Centre Ensembles Through High Purity Forming gas Annealing

Dense, ultra‐shallow (<10 nm from the surface) ensembles of nitrogen‐vacancy (NV) centers in diamond are sought‐after for realising practical quantum sensing at the nanoscale. However, these ensembles typically suffer from reduced NV creation efficiency and spin coherence compared to their deeper and bulk counterparts. Consequently, most demonstrations in the literature to date have been restricted to using single NV centers with atypical coherence and charge stability properties not achievable across entire ensembles. Here, in this work, we demonstrate that controlled annealing in a high purity forming gas atmosphere improves near‐surface NV formation efficiency to over 20%. This environment preserves a high quality hydrogen termination throughout the anneal, avoiding material etching over many hours at temperatures up to 1100°C and possibly helping to suppress vacancy out‐diffusion. We show that high temperature annealing is especially vital for improving spin properties in high density, ultra‐shallow implanted samples due to the localised damage profiles produced. By allowing the formation of high yield NV ensembles with improved spin properties, the optimised forming gas anneal can facilitate the reliable production of more sensitive diamond sensors than have previously been accessible.

Healey, Alexander J. [Royal Melbourne Institute of↗
DOE OSTI2021

Topological structure enhanced nanostructure of high temperature polymer exhibiting more than ten times enhancement of dipolar response

Nanofillers in polymer composites will induce interface regions in the polymer with non-uniform nanostructures which can be approximated as multilayer shells surrounding nanofillers. This paper studies topological nanostructures in polymers that interface with one-dimensional (1-D) and zero-dimensional (0-D) nanofillers. This new class of dielectric polymer nanocomposites involves nanofillers at ultra-low volume loading (< 1 vol percent) that generate large dielectric enhancement. The results show that the dipolar response of polyetherimide, a high temperature dielectric polymer, is increased by more than ten times with ultra-low (0.75 vol %) loading of 1-D nanofillers. The results reveal that 1-D nanofillers induce cylindrical shell-topology in the polymer matrix which is more effective in enhancing the high dielectric constant interfacial region than the spherical shell-topology generated by 0-D fillers. Furthermore, the cylindrical shells generated by 1-D fillers provide much higher dielectric enhancement over a broader interfacial region in the polymer matrix, as compared to the spherical shells induced by 0-D nanofillers.

42 ENGINEERING↗
DOE OSTI2021

Magnetism and structure of Fe- and Co-substituted Mn 2 NiSn

Mn-containing Heuslers are important magnetic shape-memory alloys for fast and precise actuators in manufacturing, robotics, surgery, and other applications. Among the key requirements are a high magnetization and favorable thermal properties, especially a high Curie temperature. In this work, the effect of Fe and Co substitution on the structure and magnetism of Mn 2 NiSn alloys is investigated. The Heusler alloys have been produced by melt spinning and characterized by X-ray diffraction, magnetometry, and electron-transport measurements. It was found that Co substitution for Mn enhances the Curie temperature of Mn 2 NiSn and both Co and Fe substitution improve its magnetization. Further, these improvements are accompanied by reduced thermal and magnetic hysteresis losses and by interesting structural changes, namely improved chemical order and site occupancies characteristic of quaternary (Y-ordered) Heuslers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electronic spectra with paramagnon fractionalization in the single-band Hubbard model

We examine spectral properties of a recently proposed theory of the intermediate temperature pseudogap metal phase of the cuprates. We show that this theory can be obtained from the familiar paramagnon theory of nearly antiferromagnetic metals by fractionalizing the paramagnon into two “hidden” layers of S = 1 / 2 spins. The first hidden layer of spins hybridizes with the electrons as in a Kondo lattice heavy Fermi liquid, whereas the second hidden layer of spins forms a spin liquid with fractionalized spinon excitations. Here, we compute the imaginary part of the electronic self-energy induced by the spinon excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Tunneling Spectroscopy at Megabar Pressures: Determination of the Superconducting Gap in Sulfur

The recent discovery of high-temperature, high-pressure superconductors, such as hydrides and nickelates, has opened exciting avenues in studying high-temperature superconductivity. The primary superconducting properties of these materials are well characterized by measuring various electrical and magnetic properties, despite the challenges posed by the high-pressure environment. Experimental microscopic insight into the pairing mechanism of these superconductors is even more challenging, due to the lack of direct probes of the superconducting gap structures at high pressure conditions. Here, we have developed a planar tunnel junction technique for diamond anvil cells and present ground-breaking tunneling spectroscopy measurements at megabar pressures. We determined the superconducting gap of elemental sulfur at 160 GPa, a key constituent of the high-temperature superconductor H 3 S . High quality tunneling spectra indicate that β -Po phase sulfur is a type II superconductor with a single s -wave gap with a gap value 2 Δ ( 0 ) = 5.6 meV . This technique is compatible with superconducting compounds synthesized in diamond anvil cells and provides insight into the pairing mechanism in novel superconductors under high-pressure conditions. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2020

IDENTIFICATION OF ADSORBA TION OF ADSORBATE FT-IR BANDS USING IN-SI -IR BANDS USING IN-SITU TECHNIQUES: Pd SPECIATION AND ADSORPTION CHEMISTRY OF Pd-ZEOLITES FOR PASSIVE NOx ADSORPTION

To meet increasingly stringent automotive emissions standards, further improvements in catalytic converter design are necessary. Current automotive catalyst systems are effective at eliminating emission of nitrogen oxides (NOx) once the catalyst reaches operational temperature (~200 °C). NOx emitted at lower catalyst temperatures now comprises most of the NOx released during a typical test cycle. Referred to as “the cold start problem” this issue has come to the forefront of automotive catalyst development, as mitigating these emissions is necessary to further reduce automotive emissions. Passive NOx adsorbers present an appealing solution to the cold start problem, these being a class of materials that chemisorb exhaust components such as NOx, carbon monoxide (CO) and hydrocarbons at near-ambient temperatures, and then desorb these compounds once the downstream catalyst has reached operational temperature. An effective passive NOx adsorber must have several properties: high NOx adsorption at near-ambient temperatures, near-complete NOx desorption at temperatures within the operational range, high thermal stability, and resistance to automotive exhaust components at high temperatures. The potential environmental impact of such a system is substantial, as NOx emissions currently result in the formation of millions of tons of smog and acid rain each year. Pd-exchanged zeolites have shown promise for deployment as Passive NOx adsorbers, though much remains to be understood about their adsorption chemistry and deactivation. In-situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) provides a convenient probe of adsorbed species, most automotive exhaust components possessing IR-active chemical bonds. By examining the evolution of IR bands under various pretreatments and adsorbates, the overall Pd-speciation and adsorptive zeolite sites of each material can be characterized, and the identities of IR bands can be deduced. In this work, microreactor-MS analysis of the adsorption and desorption behavior of these materials was also examined, these results being coupled with in-situ DRIFTS temperature programmed desorption (TPD) to correlate desorption events with specific adsorbed species. A pair of zeolite frameworks of similar Si/Al ratio but differing pore size were examined, Beta zeolite (BEA) and Chabazite (CHA) representing a medium- and small-pore framework, respectively. The effect of Pd-loading on BEA was examined, as well as the various deactivation pathways and active sites of each material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

NiSi: A New Venue for Antiferromagnetic Spintronics

Envisaging antiferromagnetic spintronics pivots on two key criteria of high transition temperature and tuning of underlying magnetic order using straightforward application of magnetic field or electric current. Here, it is shown that NiSi metal can provide suitable new platform in this quest. First, the study unveils high-temperature antiferromagnetism in single-crystal NiSi with Néel temperature, T N $\geqslant$ 700 K. Antiferromagnetic order in NiSi is accompanied by non-centrosymmetric magnetic character with small ferromagnetic component in the a–c plane. Second, it is found that NiSi manifests distinct magnetic and electronic hysteresis responses to field applications due to the disparity in two moment directions. While magnetic hysteresis is characterized by one-step switching between ferromagnetic states of uncompensated moment, electronic behavior is ascribed to metamagnetic switching phenomena between non-collinear spin configurations. Importantly, the switching behaviors persist to high temperature. In conclusion, the properties underscore the importance of NiSi in the pursuit of antiferromagnetic spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improved Creep and Tensile Properties of a Corrosion Resistant Ni-Based Superalloy Using High Temperature Aging and Nb/Ta Additions

Resistance to creep deformation is essential for cast and wrought Ni-based superalloys in next generation energy systems due to the considerable exposure times required at the operating temperature. Here the amount of precipitate strengthening was increased in variants to Inconel alloy 725 (IN725), a corrosion resistant alloy, to improve its elevated temperature mechanical strength. Additions of Nb or Ta coupled with a high temperature aging (HTA) heat treatment promoted the formation of γ" precipitates and grain boundary phases which led to significant increases in time to failure. The HTA increased the creep life of various alloy formulations as compared to the standard aging heat treatment with a maximum improvement of 371%. The Nb and Ta additions lowered the minimum creep rate (MCR) and had a similar effect on increasing creep life. The positive effect of the additions was more pronounced when coupled with the HTA which employed a higher temperature in the first step of the heat treatment to promote precipitate phase formation. The Ti/Al ratio was used to design alloys with preferential formation of ' or γ" precipitates. Compact morphology precipitates were formed in the alloys with a low Ti/Al ratio. While a low Ti/Al ratio was primarily associated with lower MCRs, the effect on the creep life was less evident than that of the HTA. By using additions of Nb or Ta and a HTA heat treatment, the creep life of IN725 for testing at 973 K (700 °C) and 483 MPa was improved by up to 256%.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mobility assessment of the BCC and carbide phases in the C-Nb, C-U and Nb-U systems

Uranium carbides with refractory metal additions are considered for Gen IV nuclear reactors and nuclear thermal propulsion as fuels for their high-temperature and corrosion resistant properties. Understanding kinetic effects that dictate microstructural evolution during fabrication and operating conditions is essential to advance technological development of these fuels. This work presents the development of an atomic mobility database for C-Nb-U systems based off available experimental data supported with ab-initio methods. The mobility assessments and uncertainty quantification (using Markov chain Monte Carlo) were conducted in the Kawin software. Carbon diffusion is considered dominant, as metal diffusion is much slower, with niobium diffusion being even slower and rate limiting than uranium metal. We provide a comprehensive and self-consistent thermo-kinetic database that is validated by diffusion couple simulations through Kawin. In conclusion, this enables prediction of microstructural and phase evolution critical for the development and lifetime assessment of next generation nuclear fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Progress and opportunities in corrosion mitigation in heat transfer fluids for next-generation concentrating solar power

Concentrating solar power (CSP) systems have gained considerable eminence in converting solar thermal energy into electrical power in recent years. According to the U.S. Department of Energy's Gen3 roadmap, the CSP system should operate > 700 °C, as its efficiency depends directly on the operating temperature of the heat transfer fluids (HTFs). A significant challenge, however, is the corrosion of containment materials by the HTFs that is exacerbated at the higher temperatures. A comprehensive review of the high temperature stable HTFs, their properties, corrosion mechanisms on different alloys, and corrosion mitigation measures is of much importance for directing a concerted research and development in the field, which forms the motivation for this compendium. First, molten salt HTFs and their thermophysical properties, along with liquid metals, are introduced. Corrosion of structural materials in different HTFs including molten salts, liquid metals, and supercritical carbon-di-oxide at various temperatures and the corrosion mechanisms are comprehensively reviewed. In addition, several corrosion mitigation methods are discussed. Finally, future directions for HTFs and corrosion mitigation methods in molten salts are proposed. As a result, the holistic review presented here will serve as the foundation for further research addressing relevant challenges and enabling the promise of achieving cost-competitive CSP.

14 SOLAR ENERGY↗